5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine

C14H16IN3O2 — CID 44573245

IUPAC5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCOc1cc(C(C)C)c(Oc2cncnc2N)cc1I
InChIInChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyUDGFSUIATFMOKQ-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.59
Rot. Bonds4

About 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine

5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 44573245) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID44573245
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCOc1cc(C(C)C)c(Oc2cncnc2N)cc1I
InChIInChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyUDGFSUIATFMOKQ-UHFFFAOYSA-N
XLogP3.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine (CID 44573245) is 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine is COc1cc(C(C)C)c(Oc2cncnc2N)cc1I.
What is the InChIKey of 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is UDGFSUIATFMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine?
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 385.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 44573245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).